Cyclohexanebutanol

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  • Identifiers

    CAS number
    4441-57-0

    Molecular formula
    C10H20O

    SMILES
    C1CCC(CC1)CCCCO

    Safety labels

  • Odor profile

    Fragrance
    Floral 81.3%
    Rose 66.87%
    Green 60.56%
    Fresh 54.04%
    Clean 50.75%
    Waxy 49.88%
    Muguet 46.52%
    Lily 44.11%
    Citrus 40.88%
    Sweet 36.99%

     

    Flavor
    Rose 41.37%
    Green 40.08%
    Fruity 39.05%
    Waxy 38.74%
    Sweet 37.51%
    Fresh 30.94%
    Floral 30.63%
    Fatty 30.55%
    Fruit 29.33%
    Musty 28.73%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.78 (weak base)

    Molecular weight
    156.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    244°C

    Flash point

    • 113.47 ˚C est.

  • Synonyms

    • 4441-57-0
    • Cyclohexanebutanol
    • Cyclohexylbutan-1-ol
    • NSC-44913
    • X4YG6ZD5FH
    • DTXSID90196163
    • RefChem:1082507
    • DTXCID00118654
    • 224-664-8
    • 4-cyclohexylbutan-1-ol
    • 4-Cyclohexyl-1-butanol
    • MFCD00001531
    • 4-Cyclohexyl-butan-1-ol
    • Cyclohexanebutanol-
    • 4-cyclohexylbutanol
    • NSC44913
    • Cyclohexan- Butanol
    • 4-cyclohexanebutanol
    • EINECS 224-664-8
    • AI3-38561
    • SCHEMBL80440
    • SCHEMBL329924
    • SCHEMBL4299415
    • SCHEMBL21085076
    • SCHEMBL21085141
    • SCHEMBL28032599
    • NZEBWPHHIQAVOH-UHFFFAOYSA-
    • 4-Cyclohexyl-1-butanol, >=95%
    • NSC 44913
    • AKOS009156877
    • BS-49181
    • SY011905
    • DB-051217
    • CS-0155328
    • NS00048581
    • ST51038041
    • F53310
    • EN300-1625341
    • F689917
    • A1-11756
    • InChI=1/C10H20O/c11-9-5-4-8-10-6-2-1-3-7-10/h10-11H,1-9H2
    • 4441-57-0

  • Applications

    Cyclohexanebutanol (CAS number: 4441-57-0) is used as a processing solvent and as an intermediate in organic synthesis; in fragrance and perfumery it serves as a fragrance ingredient or synthesis building block; in cosmetics and personal care it acts as a solvent or formulation aid; in cleaning products it functions as a solvent and carrier for active ingredients; in coatings and inks it is used as a solvent or processing aid; in industrial manufacturing it serves as a general chemical intermediate for various syntheses; in polymers/plastics it can be applied as a processing aid or formulation modifier.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15382.56
    methanol 11379.77
    isopropanol 16921.69
    water 0.19
    ethyl acetate 13683.01
    n-propanol 16394.94
    acetone 21298.42
    n-butanol 14237.97
    acetonitrile 8988.26
    DMF 9161.54
    toluene 2634.66
    isobutanol 11081.15
    1,4-dioxane 12223.84
    methyl acetate 7471.02
    THF 22359.56
    2-butanone 13715.1
    n-pentanol 5697.7
    sec-butanol 10646.2
    n-hexane 2194.58
    ethylene glycol 957.29
    NMP 4425.06
    cyclohexane 3317.67
    DMSO 15875.62
    n-butyl acetate 8464.31
    n-octanol 1452.99
    chloroform 11404.03
    n-propyl acetate 6771.04
    acetic acid 5183.58
    dichloromethane 10643.7
    cyclohexanone 12977.43
    propylene glycol 2287.47
    isopropyl acetate 7251.14
    DMAc 2968.83
    2-ethoxyethanol 5634.44
    isopentanol 9667.09
    n-heptane 1272.48
    ethyl formate 5916.34
    1,2-dichloroethane 9660.54
    n-hexanol 5799.17
    2-methoxyethanol 12745.22
    isobutyl acetate 2813.89
    tetrachloromethane 2849.48
    n-pentyl acetate 3106.63
    transcutol 12902.83
    n-heptanol 2027.0
    ethylbenzene 1048.16
    MIBK 5372.14
    2-propoxyethanol 7337.12
    tert-butanol 16457.75
    MTBE 10858.26
    2-butoxyethanol 3557.29
    propionic acid 7040.22
    o-xylene 1171.74
    formic acid 902.49
    diethyl ether 15560.85
    m-xylene 1584.0
    p-xylene 1182.25
    chlorobenzene 2930.31
    dimethyl carbonate 1347.53
    n-octane 306.49
    formamide 2365.12
    cyclopentanone 14731.32
    2-pentanone 13692.01
    anisole 2025.23
    cyclopentyl methyl ether 11385.79
    gamma-butyrolactone 13101.01
    1-methoxy-2-propanol 10313.65
    pyridine 8599.56
    3-pentanone 7075.35
    furfural 5801.72
    n-dodecane 120.15
    diethylene glycol 2925.48
    diisopropyl ether 3790.36
    tert-amyl alcohol 8115.08
    acetylacetone 7097.07
    n-hexadecane 147.59
    acetophenone 1472.22
    methyl propionate 7663.38
    isopentyl acetate 5492.53
    trichloroethylene 12015.24
    n-nonanol 1205.68
    cyclohexanol 9041.32
    benzyl alcohol 1587.64
    2-ethylhexanol 3065.22
    isooctanol 1595.81
    dipropyl ether 8087.21
    1,2-dichlorobenzene 2095.85
    ethyl lactate 1308.94
    propylene carbonate 5512.09
    n-methylformamide 8341.25
    2-pentanol 9339.09
    n-pentane 2051.14
    1-propoxy-2-propanol 6706.99
    1-methoxy-2-propyl acetate 4634.32
    2-(2-methoxypropoxy) propanol 1337.58
    mesitylene 985.22
    ε-caprolactone 8870.82
    p-cymene 743.78
    epichlorohydrin 12368.37
    1,1,1-trichloroethane 8194.1
    2-aminoethanol 3966.99
    morpholine-4-carbaldehyde 5267.71
    sulfolane 10904.66
    2,2,4-trimethylpentane 498.33
    2-methyltetrahydrofuran 16728.76
    n-hexyl acetate 3213.93
    isooctane 517.79
    2-(2-butoxyethoxy)ethanol 2724.09
    sec-butyl acetate 3353.88
    tert-butyl acetate 6046.37
    decalin 584.56
    glycerin 1976.48
    diglyme 6346.64
    acrylic acid 3463.53
    isopropyl myristate 906.71
    n-butyric acid 13584.85
    acetyl acetate 3646.68
    di(2-ethylhexyl) phthalate 530.23
    ethyl propionate 5268.27
    nitromethane 9559.67
    1,2-diethoxyethane 7574.1
    benzonitrile 2480.27
    trioctyl phosphate 534.22
    1-bromopropane 7384.31
    gamma-valerolactone 13031.46
    n-decanol 810.73
    triethyl phosphate 968.74
    4-methyl-2-pentanol 3359.97
    propionitrile 9811.27
    vinylene carbonate 3525.89
    1,1,2-trichlorotrifluoroethane 5245.93
    DMS 1304.54
    cumene 615.4
    2-octanol 1269.28
    2-hexanone 5963.89
    octyl acetate 1095.5
    limonene 1709.13
    1,2-dimethoxyethane 9413.62
    ethyl orthosilicate 1099.92
    tributyl phosphate 769.6
    diacetone alcohol 5266.78
    N,N-dimethylaniline 908.81
    acrylonitrile 7813.06
    aniline 3973.03
    1,3-propanediol 7338.01
    bromobenzene 2932.81
    dibromomethane 8663.72
    1,1,2,2-tetrachloroethane 9634.94
    2-methyl-cyclohexyl acetate 1746.78
    tetrabutyl urea 812.29
    diisobutyl methanol 1841.95
    2-phenylethanol 1686.34
    styrene 1443.11
    dioctyl adipate 1043.02
    dimethyl sulfate 1624.53
    ethyl butyrate 5531.37
    methyl lactate 1839.86
    butyl lactate 1896.02
    diethyl carbonate 2198.44
    propanediol butyl ether 2012.73
    triethyl orthoformate 2724.4
    p-tert-butyltoluene 736.04
    methyl 4-tert-butylbenzoate 1110.9
    morpholine 17458.33
    tert-butylamine 11565.07
    n-dodecanol 574.35
    dimethoxymethane 8356.92
    ethylene carbonate 4158.54
    cyrene 890.61
    2-ethoxyethyl acetate 3162.84
    2-ethylhexyl acetate 3804.0
    1,2,4-trichlorobenzene 2206.57
    4-methylpyridine 6774.42
    dibutyl ether 4211.03
    2,6-dimethyl-4-heptanol 1841.95
    DEF 8458.77
    dimethyl isosorbide 2192.03
    tetrachloroethylene 7344.47
    eugenol 892.98
    triacetin 1568.93
    span 80 1491.2
    1,4-butanediol 1688.46
    1,1-dichloroethane 10726.03
    2-methyl-1-pentanol 3780.67
    methyl formate 4123.25
    2-methyl-1-butanol 8292.26
    n-decane 294.23
    butyronitrile 12083.14
    3,7-dimethyl-1-octanol 1649.9
    1-chlorooctane 1236.6
    1-chlorotetradecane 333.84
    n-nonane 344.46
    undecane 174.99
    tert-butylcyclohexane 543.02
    cyclooctane 802.51
    cyclopentanol 9610.8
    tetrahydropyran 21608.27
    tert-amyl methyl ether 5541.97
    2,5,8-trioxanonane 2483.57
    1-hexene 5695.38
    2-isopropoxyethanol 3483.49
    2,2,2-trifluoroethanol 1191.18
    methyl butyrate 7168.15

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction